Cargando…

Adsorption Sites on Pd Nanoparticles Unraveled by Machine-Learning Potential with Adaptive Sampling

Catalytic properties of noble-metal nanoparticles (NPs) are largely determined by their surface morphology. The latter is probed by surface-sensitive spectroscopic techniques in different spectra regions. A fast and precise computational approach enabling the prediction of surface–adsorbate interact...

Descripción completa

Detalles Bibliográficos
Autores principales:	Tereshchenko, Andrei, Pashkov, Danil, Guda, Alexander, Guda, Sergey, Rusalev, Yury, Soldatov, Alexander
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2022
Materias:	Communication
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8780420/ https://www.ncbi.nlm.nih.gov/pubmed/35056671 http://dx.doi.org/10.3390/molecules27020357

Ejemplares similares

In situ X-ray absorption spectroscopy data during formation of active Pt- and Pd-sites in functionalized UiO-67 metal-organic frameworks
por: Bugaev, Aram L., et al.
Publicado: (2019)

Laboratory Operando XAS Study of Sodium Iron Titanite Cathode in the Li-Ion Half-Cell
por: Shapovalov, Victor, et al.
Publicado: (2021)

Synthesis of ZnO Nanoparticles Doped with Cobalt Using Bimetallic ZIFs as Sacrificial Agents
por: Butova, Vera V., et al.
Publicado: (2020)

MetaID: A novel method for identification and quantification of metagenomic samples
por: Srinivasan, Satish M, et al.
Publicado: (2013)

Self-Driving Laboratories for Development of New Functional Materials and Optimizing Known Reactions
por: Soldatov, Mikhail A., et al.
Publicado: (2021)

Classification of breast cancer patients using somatic mutation profiles and machine learning approaches
por: Vural, Suleyman, et al.
Publicado: (2016)

Operando X-ray absorption spectra and mass spectrometry data during hydrogenation of ethylene over palladium nanoparticles
por: Bugaev, Aram L., et al.
Publicado: (2019)

Reconstruction of Pathways Associated with Amino Acid Metabolism in Human Mitochondria
por: Guda, Purnima, et al.
Publicado: (2007)

mintRULS: Prediction of miRNA–mRNA Target Site Interactions Using Regularized Least Square Method
por: Shakyawar, Sushil, et al.
Publicado: (2022)

One-pot coating of LiCoPO(4)/C by a UiO-66 metal–organic framework
por: Aboraia, Abdelaziz M., et al.
Publicado: (2020)

Quantitative Structural Description of Zeolites by Machine Learning Analysis of Infrared Spectra
por: Skorynina, Alina A., et al.
Publicado: (2023)

Comparative Analysis of Protein-Protein Interactions in Cancer-Associated Genes
por: Guda, Purnima, et al.
Publicado: (2009)

Predicting the Subcellular Localization of Human Proteins Using Machine Learning and Exploratory Data Analysis
por: Acquaah-Mensah, George K., et al.
Publicado: (2006)

Adsorption sites and diffusion steps of In and Cd on Pd(111) surfaces
por: Hunger, E, et al.
Publicado: (1990)

pTARGET: a web server for predicting protein subcellular localization
por: Guda, Chittibabu
Publicado: (2006)

A Top-Down Approach to Infer and Compare Domain-Domain Interactions across Eight Model Organisms
por: Guda, Chittibabu, et al.
Publicado: (2009)

Surface tension of nanoparticle dispersions unravelled by size-dependent non-occupied sites free energy versus adsorption kinetics
por: Machrafi, Hatim
Publicado: (2022)

Fluorescence-detected XAS with sub-second time resolution reveals new details about the redox activity of Pt/CeO(2) catalyst
por: Guda, Alexander A., et al.
Publicado: (2018)

Commentary: Next-Generation Sequence Analysis of Parathyroid Carcinoma
por: Costa-Guda, Jessica
Publicado: (2018)

Comparing insecticide-treated nets access-use based on universal household and population indicators vis-a-vis measures adapted to sleeping spaces in Ethiopia
por: Kebede, Yohannes, et al.
Publicado: (2021)

Computational Analysis of Transcriptional Circuitries in Human Embryonic Stem Cells Reveals Multiple and Independent Networks
por: Wang, Xiaosheng, et al.
Publicado: (2014)

Applied Graph-Mining Algorithms to Study Biomolecular Interaction Networks
por: Shen, Ru, et al.
Publicado: (2014)

Application of a hierarchical enzyme classification method reveals the role of gut microbiome in human metabolism
por: Mohammed, Akram, et al.
Publicado: (2015)

A Comparison of Variant Calling Pipelines Using Genome in a Bottle as a Reference
por: Cornish, Adam, et al.
Publicado: (2015)

Integrative exploration of genomic profiles for triple negative breast cancer identifies potential drug targets
por: Wang, Xiaosheng, et al.
Publicado: (2016)

Meta-Analysis of Altered Gut Microbiota Reveals Microbial and Metabolic Biomarkers for Colorectal Cancer
por: Avuthu, Nagavardhini, et al.
Publicado: (2022)

Tracing the origin of functional and conserved domains in the human proteome: implications for protein evolution at the modular level
por: Pal, Lipika R, et al.
Publicado: (2006)

ngLOC: an n-gram-based Bayesian method for estimating the subcellular proteomes of eukaryotes
por: King, Brian R, et al.
Publicado: (2007)

Genome-wide DNA methylation analysis reveals molecular subtypes of pancreatic cancer
por: Mishra, Nitish Kumar, et al.
Publicado: (2017)

Global gene expression profiling of healthy human brain and its application in studying neurological disorders
por: Negi, Simarjeet K., et al.
Publicado: (2017)

A compiled dataset of molecular pathways associated with fusion genes identified in pediatric cancers
por: Vellichirammal, Neetha N., et al.
Publicado: (2021)

NBBt-test: a versatile method for differential analysis of multiple types of RNA-seq data
por: Tan, Yuan-De, et al.
Publicado: (2022)

Methane Adsorption on Aggregates of Fullerenes: Site-Selective Storage Capacities and Adsorption Energies
por: Kaiser, Alexander, et al.
Publicado: (2013)

Development of Composite Scaffolds for Load-Bearing Segmental Bone Defects
por: Pilia, Marcello, et al.
Publicado: (2013)

Discovering Distinct Functional Modules of Specific Cancer Types Using Protein-Protein Interaction Networks
por: Shen, Ru, et al.
Publicado: (2015)

Comparative molecular characterization of typical and exceptional responders in glioblastoma
por: Wipfler, Kristin, et al.
Publicado: (2018)

K-mer-Based Motif Analysis in Insect Species across Anopheles, Drosophila, and Glossina Genera and Its Application to Species Classification
por: Cserhati, Matyas, et al.
Publicado: (2019)

StrainIQ: A Novel n-Gram-Based Method for Taxonomic Profiling of Human Microbiota at the Strain Level
por: Pandey, Sanjit, et al.
Publicado: (2023)

Mining functional subgraphs from cancer protein-protein interaction networks
por: Shen, Ru, et al.
Publicado: (2012)

Survival Analysis of Multi-Omics Data Identifies Potential Prognostic Markers of Pancreatic Ductal Adenocarcinoma
por: Mishra, Nitish Kumar, et al.
Publicado: (2019)

Cannot write session to /tmp/vufind_sessions/sess_5s71931ju0uln7d64gtqigbmcp